AC1OBW99

2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide

Also Known As: (E)-2-((5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide|2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide|2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide|2-{[5-(4-CHLOROPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-[(E,2E)-3-(2-NITROPHENYL)-2-PROPENYLIDENE]ACETOHYDRAZIDE

Molecular Formula	C25H19ClN6O3S
Molecular Weight	518.0928 g/mol
LogP	5.4034
Topological Polar Surface Area	115.31 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	9
Exact Mass	518.0928
Monoisotopic Mass	518.0928
Heavy Atoms	36
Complexity	1421.5024

Chemical Identifiers

CAS Number	315217-72-2
SMILES	C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N/N=C/C=C/C3=CC=CC=C3[N+](=O)[O-])C4=CC=C(C=C4)Cl